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Dimer of {9,11,13,19,21,23-Hexamethyl-1,7-dioxa-15,16,25,26-tetrathia[7.4.4]-(1,3,5)-cyclophane}
SpectraBase Compound ID 5rQzTdNiyAV
InChI InChI=1S/C54H72O4S8/c1-31-43-23-59-60-24-44-32(2)49-29-65-66-30-50-34(4)46-26-62-61-25-45-33(3)48(40(10)53(37(45)7)57-21-17-14-18-22-58-54(38(46)8)42(50)12)28-64-63-27-47(31)39(9)51(35(43)5)55-19-15-13-16-20-56-52(36(44)6)41(49)11/h13-30H2,1-12H3
InChIKey LWNQODFJQPVKGG-UHFFFAOYSA-N
Mol Weight 1041.6 g/mol
Molecular Formula C54H72O4S8
Exact Mass 1040.31963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZmfMzZY5Pq
Name Dimer of {9,11,13,19,21,23-Hexamethyl-1,7-dioxa-15,16,25,26-tetrathia[7.4.4]-(1,3,5)-cyclophane}
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H72O4S8
InChI InChI=1S/C54H72O4S8/c1-31-43-23-59-60-24-44-32(2)49-29-65-66-30-50-34(4)46-26-62-61-25-45-33(3)48(40(10)53(37(45)7)57-21-17-14-18-22-58-54(38(46)8)42(50)12)28-64-63-27-47(31)39(9)51(35(43)5)55-19-15-13-16-20-56-52(36(44)6)41(49)11/h13-30H2,1-12H3
InChIKey LWNQODFJQPVKGG-UHFFFAOYSA-N
Molecular Weight 1041.646 g/mol
SMILES c12c(c3CSSCc4c(c5OCCCCCOc6c(c(CSSCc7c(c(CSSCc(c2C)c3C)c(C)c(OCCCCCO1)c7C)C)c(C)c(CSSCc(c4C)c5C)c6C)C)C)C
SPLASH splash10-006x-9753460000-fa184e29b14a88f7b51f
Source of Spectrum K1-2002-247-15
Synonyms 25,26-Bis[9,11,13,19,21,23-Hexamethyl-1,7-dioxa-15,16,25,26-tetrathia[7.4.4](1,3,5)cyclophane]
Wiley ID 1521946